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Title: Materials Data on Ag3AuSeS by Materials Project

Abstract

Ag3AuSeS crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Au1+ is bonded in a 8-coordinate geometry to six Ag1+, one Se2-, and one S2- atom. There are three shorter (3.06 Å) and three longer (3.13 Å) Au–Ag bond lengths. The Au–Se bond length is 2.50 Å. The Au–S bond length is 2.37 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, two equivalent Se2-, and two equivalent S2- atoms. Both Ag–Se bond lengths are 2.91 Å. Both Ag–S bond lengths are 2.71 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, two equivalent Se2-, and two equivalent S2- atoms. Both Ag–Se bond lengths are 2.73 Å. Both Ag–S bond lengths are 2.88 Å. Se2- is bonded in a 7-coordinate geometry to one Au1+ and six Ag1+ atoms. S2- is bonded in a 7-coordinate geometry to one Au1+ and six Ag1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1229183
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag3AuSeS; Ag-Au-S-Se
OSTI Identifier:
1695445
DOI:
https://doi.org/10.17188/1695445

Citation Formats

The Materials Project. Materials Data on Ag3AuSeS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695445.
The Materials Project. Materials Data on Ag3AuSeS by Materials Project. United States. doi:https://doi.org/10.17188/1695445
The Materials Project. 2020. "Materials Data on Ag3AuSeS by Materials Project". United States. doi:https://doi.org/10.17188/1695445. https://www.osti.gov/servlets/purl/1695445. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1695445,
title = {Materials Data on Ag3AuSeS by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3AuSeS crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Au1+ is bonded in a 8-coordinate geometry to six Ag1+, one Se2-, and one S2- atom. There are three shorter (3.06 Å) and three longer (3.13 Å) Au–Ag bond lengths. The Au–Se bond length is 2.50 Å. The Au–S bond length is 2.37 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, two equivalent Se2-, and two equivalent S2- atoms. Both Ag–Se bond lengths are 2.91 Å. Both Ag–S bond lengths are 2.71 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, two equivalent Se2-, and two equivalent S2- atoms. Both Ag–Se bond lengths are 2.73 Å. Both Ag–S bond lengths are 2.88 Å. Se2- is bonded in a 7-coordinate geometry to one Au1+ and six Ag1+ atoms. S2- is bonded in a 7-coordinate geometry to one Au1+ and six Ag1+ atoms.},
doi = {10.17188/1695445},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}